1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol

C16H14BrFN2O2S — CID 70570148

IUPAC1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol
SMILESCS(=O)CC(O)c1[nH]c2cc(F)c(Br)cc2c1-c1ccccn1
InChIInChI=1S/C16H14BrFN2O2S/c1-23(22)8-14(21)16-15(12-4-2-3-5-19-12)9-6-10(17)11(18)7-13(9)20-16/h2-7,14,20-21H,8H2,1H3
InChIKeyYTOFSGANJCHVPK-UHFFFAOYSA-N
MW397.27 g/mol
LogP3.54
Rot. Bonds4

About 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol

1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol (PubChem CID 70570148) has the molecular formula C16H14BrFN2O2S and a molecular weight of 397.27 g/mol. Its IUPAC name is 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol.

Molecular Properties

Compound Name1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol
PubChem CID70570148
Molecular FormulaC16H14BrFN2O2S
Molecular Weight397.27 g/mol
Exact Mass395.99
IUPAC Name1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol
SMILESCS(=O)CC(O)c1[nH]c2cc(F)c(Br)cc2c1-c1ccccn1
InChIInChI=1S/C16H14BrFN2O2S/c1-23(22)8-14(21)16-15(12-4-2-3-5-19-12)9-6-10(17)11(18)7-13(9)20-16/h2-7,14,20-21H,8H2,1H3
InChIKeyYTOFSGANJCHVPK-UHFFFAOYSA-N
XLogP3.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol?
The IUPAC name of 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol (CID 70570148) is 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol.
What is the SMILES notation for 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol?
The canonical SMILES for 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol is CS(=O)CC(O)c1[nH]c2cc(F)c(Br)cc2c1-c1ccccn1.
What is the InChIKey of 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol?
The InChIKey is YTOFSGANJCHVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2S/c1-23(22)8-14(21)16-15(12-4-2-3-5-19-12)9-6-10(17)11(18)7-13(9)20-16/h2-7,14,20-21H,8H2,1H3.
What are the key properties of 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol?
1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol has a molecular weight of 397.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-fluoro-3-pyridin-2-yl-1H-indol-2-yl)-2-methylsulfinylethanol is sourced from PubChem (CID 70570148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).